6-ethyl-N-(furan-2-ylmethyl)-2-(morpholin-4-yl)pyrimidin-4-amine

• ChemBase ID: 542423
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(nc(cc(n1)CC)NCc1occc1)N1CCOCC1
• Canonical SMILES: CCc1cc(NCc2ccco2)nc(n1)N1CCOCC1
• InChI: InChI=1S/C15H20N4O2/c1-2-12-10-14(16-11-13-4-3-7-21-13)18-15(17-12)19-5-8-20-9-6-19/h3-4,7,10H,2,5-6,8-9,11H2,1H3,(H,16,17,18)
• InChIKey: ORAUSKZYMZIMTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-N-(furan-2-ylmethyl)-2-(morpholin-4-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-ethyl-N-(furan-2-ylmethyl)-2-(morpholin-4-yl)pyrimidin-4-amine
• Synonyms: 6-ethyl-N-(2-furylmethyl)-2-morpholin-4-ylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.934813
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6332072
• LogD (pH = 7.4): 1.9575448
• Log P: 2.3019264
• Molar Refractivity: 82.9006 cm^3
• Polarizability: 30.067816 Å^3
• Polar Surface Area: 63.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.71
• LOG S: -3.62
• Polar Surface Area: 63.42 Å^2
• Rotatable Bonds: 5